(2R)-2-[[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-3-methyl-butanoate Openeye Name: (2R)-2-[[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[2-(4-butoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[2-(4-butoxyphenyl)-6-methylchromen-4-ylidene]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[2-(4-butoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-3-methyl-butyrate Formula: C25H28NO4- MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=NC(C(C)C)C(=O)[O-])C3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=N[C@H](C(C)C)C(=O)[O-])C3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C25H29NO4/c1-5-6-13-29-19-10-8-18(9-11-19)23-15-21(26-24(16(2)3)25(27)28)20-14-17(4)7-12-22(20)30-23/h7-12,14-16,24H,5-6,13H2,1-4H3,(H,27,28)/p-1/t24-/m1/s1